6-Methylindole(3420-02-8) MS
Product Name6-Methylindole
CAS3420-02-8
Molecular FormulaC9H9N
Molecular Weight131.17
InChIInChI=1S/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H3
InChIKey ONYNOPPOVKYGRS-UHFFFAOYSA-N
SmilesN1C2=C(C=CC(C)=C2)C=C1
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MassMS-IW-1271 6-methylindole C9H9N (Mass of molecular ion: 131)
Source Temperature: 240 °C Sample Temperature: 160 °C Reservoir, 75 eV
39.0 1.4 50.0 1.8 51.0 4.7 52.0 2.8 62.0 1.1 63.0 2.4 64.0 1.7 64.5 4.8 65.0 5.8 65.5 4.6 74.0 1.0 75.0 1.5 76.0 1.8 77.0 11.7 78.0 2.2 101.0 1.4 102.0 4.4 103.0 9.9 104.0 2.2 128.0 3.1 129.0 2.0 130.0 100.0 131.0 82.7 132.0 7.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H9 N 0.05 ml : 0.5 ml CDCl3 6-methylindole 
Assign. Shift(ppm)
A 7.489 B 7.46 C 6.927 D 6.882 E 6.831 F 6.418 G 2.410
Hz ppm Int.2772.71 6.938 135 2771.73 6.936 147 2764.65 6.918 127 2763.79 6.916 143 2750.73 6.883 244 2750.00 6.882 239 2733.03 6.839 164 2730.47 6.833 206 2729.86 6.831 212 2727.42 6.825 174 2568.12 6.426 119 2567.14 6.424 131 2566.04 6.421 142 2565.06 6.419 202 2563.96 6.416 142 2562.87 6.413 134 2562.01 6.411 120 963.13 2.410 1000
liquid film
